4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide

C14H11F2N5O2S — CID 16809081

IUPAC4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N5O2S/c15-10-1-5-12(6-2-10)21-14(18-19-20-21)9-17-24(22,23)13-7-3-11(16)4-8-13/h1-8,17H,9H2
InChIKeyJJSLOZJPWVOYQI-UHFFFAOYSA-N
MW351.34 g/mol
LogP1.42
Rot. Bonds5

About 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide

4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (PubChem CID 16809081) has the molecular formula C14H11F2N5O2S and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
PubChem CID16809081
Molecular FormulaC14H11F2N5O2S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC Name4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N5O2S/c15-10-1-5-12(6-2-10)21-14(18-19-20-21)9-17-24(22,23)13-7-3-11(16)4-8-13/h1-8,17H,9H2
InChIKeyJJSLOZJPWVOYQI-UHFFFAOYSA-N
XLogP1.42
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708707
4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8034485
5-[(4-Fluorophenyl)sulfonylmethyl]-1-phenyltetrazole
CID 8072963
1-phenyl-5-[(phenylsulfonyl)methyl]-1H-tetrazole
CID 16452094
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8015656
3-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189726
4-fluoro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzenesulfonamide
CID 2222606
1-(Benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine
CID 2416006
2,3,4-trifluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 2451006
N-(4-(N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)sulfamoyl)phenyl)acetamide
CID 16799322
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)thiophene-2-sulfonamide
CID 16799324
2,4-difluoro-N-((1-(p-tolyl)-1H-tetrazol-5-yl)methyl)benzenesulfonamide
CID 16809029

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide (CID 16809081) is 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nnnn1-c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is JJSLOZJPWVOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2S/c15-10-1-5-12(6-2-10)21-14(18-19-20-21)9-17-24(22,23)13-7-3-11(16)4-8-13/h1-8,17H,9H2.
What are the key properties of 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 351.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16809081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).